benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate

C17H23N3O5 — CID 23316618

IUPACbenzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate
SMILESNC(=O)CNC(=O)COCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O5/c18-15(21)9-19-16(22)12-24-11-14-7-4-8-20(14)17(23)25-10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,18,21)(H,19,22)
InChIKeyFYPIZLFBCFTRSC-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.41
Rot. Bonds8

About benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate

benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate (PubChem CID 23316618) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate
PubChem CID23316618
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Namebenzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate
SMILESNC(=O)CNC(=O)COCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O5/c18-15(21)9-19-16(22)12-24-11-14-7-4-8-20(14)17(23)25-10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,18,21)(H,19,22)
InChIKeyFYPIZLFBCFTRSC-UHFFFAOYSA-N
XLogP0.41
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate (CID 23316618) is benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate is NC(=O)CNC(=O)COCC1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate?
The InChIKey is FYPIZLFBCFTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c18-15(21)9-19-16(22)12-24-11-14-7-4-8-20(14)17(23)25-10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,18,21)(H,19,22).
What are the key properties of benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate?
benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethoxy]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 23316618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).